2PS2

crystal structure of putative mandelate racemase/muconate lactonizing enzyme from aspergillus oryzae

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 90
  • Norm. En. per Res.: -3.9695
• Hub Node: B(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-C	-36.6316	-116.3977	-204.225	-357.2543	90	8	1	8754	7	37	40
B-C	-10.0912	14.4061	-229.334	-225.0191	112	7	5	9578	0	32	35
B-D	-38.5904	-115.0576	-210.414	-364.062	93	11	1	8840	6	37	41

Interface residues

• A-C: ALA177A, ALA206A, ALA220C, ALA226A, ALA259C, ALA262C, ALA263C, ALA288C, ALA289C, ARG208A, ARG211A, ARG229A, ARG235C, ARG236A, ARG236C, ARG318C, ARG321C, ASP176A, ASP190C, ASP218C, ASP239A, ASP239C, ASP260C, ASP261C, CYS225A, CYS286C, GLN187C, GLN188C, GLU172A, GLU191C, GLU204A, GLU230A, GLU264C, GLY171A, GLY199A, GLY216C, GLY265C, GLY290C, HIS215A, HIS215C, ILE194C, ILE232A, ILE240C, ILE242C, ILE243C, ILE257C, ILE266C, ILE285C, LEU184C, LEU201A, LEU207A, LEU209A, LEU210A, LEU210C, LEU212A, LEU213A, LEU213C, LEU217C, LEU221C, LEU234A, LEU258C, LEU287C, LEU320C, LYS178A, LYS200A, LYS237A, LYS237C, PHE192C, PHE193C, PHE219C, PRO173A, PRO189C, PRO214A, PRO214C, PRO224A, PRO241C, SER170A, SER202A, SER233A, SER292C, SER319C, THR175A, THR205A, THR227A, THR238A, THR238C, TYR291C, VAL174A, VAL203A, VAL293C
• B-C: ALA104B, ALA104C, ALA226B, ALA226C, ALA259B, ALA259C, ALA62B, ALA62C, ALA70B, ALA70C, ALA73B, ALA73C, ALA97B, ALA97C, ARG229B, ARG229C, ARG236B, ARG236C, ARG66B, ARG66C, ARG69B, ARG69C, ASN250B, ASN250C, ASN59B, ASN59C, ASP103B, ASP103C, ASP260B, ASP260C, ASP95B, ASP95C, ASP96B, ASP96C, CYS231B, CYS231C, GLU102B, GLU102C, GLU230B, GLU230C, GLU246B, GLU246C, GLU251B, GLU251C, GLY100B, GLY100C, GLY57B, GLY57C, GLY67B, GLY67C, GLY71B, GLY71C, HIS101B, HIS101C, HIS64B, HIS64C, ILE232B, ILE232C, ILE254B, ILE254C, ILE257B, ILE257C, ILE61B, ILE61C, ILE72B, ILE72C, LEU247B, LEU247C, LEU258B, LEU258C, LEU25C, LEU98B, LEU98C, LEU99B, LEU99C, LYS105B, LYS105C, LYS256B, LYS256C, MET252B, MET252C, MET75B, MET75C, MET94B, MET94C, PRO65B, PRO65C, PRO77B, PRO77C, SER233B, SER233C, SER253B, SER253C, SER58B, SER58C, SER63B, SER63C, THR227B, THR227C, THR74B, THR74C, TRP228B, TRP228C, TYR244C, TYR370B, TYR370C, TYR60B, TYR60C, VAL255B, VAL255C, VAL68B, VAL68C
• B-D: ALA177D, ALA197D, ALA206D, ALA220B, ALA226D, ALA259B, ALA262B, ALA263B, ALA288B, ALA289B, ARG208D, ARG211D, ARG229D, ARG235B, ARG236B, ARG236D, ARG318B, ARG321B, ASN198D, ASP176D, ASP190B, ASP218B, ASP239B, ASP239D, ASP260B, ASP261B, CYS225D, CYS286B, GLN187B, GLN188B, GLU172D, GLU191B, GLU204D, GLU230D, GLU264B, GLY171D, GLY199D, GLY216B, GLY265B, GLY290B, HIS215B, HIS215D, ILE169D, ILE194B, ILE232D, ILE240B, ILE242B, ILE243B, ILE257B, ILE266B, ILE285B, LEU184B, LEU201D, LEU207D, LEU209D, LEU210B, LEU210D, LEU212D, LEU213B, LEU213D, LEU217B, LEU217D, LEU221B, LEU234D, LEU258B, LEU287B, LEU320B, LYS178D, LYS200D, LYS237B, LYS237D, PHE192B, PHE193B, PHE219B, PRO173D, PRO189B, PRO214B, PRO214D, PRO241B, SER170D, SER202D, SER233D, SER292B, SER319B, THR175D, THR205D, THR227D, THR238B, THR238D, TYR291B, VAL174D, VAL203D, VAL293B